1-[(3,4-dimethoxyphenyl)methyl]-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazine

C20H30N4O4S — CID 19615127

IUPAC1-[(3,4-dimethoxyphenyl)methyl]-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazine
SMILESCCn1nc(C)c(S(=O)(=O)N2CCN(Cc3ccc(OC)c(OC)c3)CC2)c1C
InChIInChI=1S/C20H30N4O4S/c1-6-24-16(3)20(15(2)21-24)29(25,26)23-11-9-22(10-12-23)14-17-7-8-18(27-4)19(13-17)28-5/h7-8,13H,6,9-12,14H2,1-5H3
InChIKeyYUDUOYYWWKFZCE-UHFFFAOYSA-N
MW422.55 g/mol
LogP2.04
Rot. Bonds7

About 1-[(3,4-dimethoxyphenyl)methyl]-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazine

1-[(3,4-dimethoxyphenyl)methyl]-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazine (PubChem CID 19615127) has the molecular formula C20H30N4O4S and a molecular weight of 422.55 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)methyl]-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)methyl]-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazine
PubChem CID19615127
Molecular FormulaC20H30N4O4S
Molecular Weight422.55 g/mol
Exact Mass422.20
IUPAC Name1-[(3,4-dimethoxyphenyl)methyl]-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazine
SMILESCCn1nc(C)c(S(=O)(=O)N2CCN(Cc3ccc(OC)c(OC)c3)CC2)c1C
InChIInChI=1S/C20H30N4O4S/c1-6-24-16(3)20(15(2)21-24)29(25,26)23-11-9-22(10-12-23)14-17-7-8-18(27-4)19(13-17)28-5/h7-8,13H,6,9-12,14H2,1-5H3
InChIKeyYUDUOYYWWKFZCE-UHFFFAOYSA-N
XLogP2.04
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(3,4-dimethoxyphenyl)methyl]-4-(4-propylphenyl)sulfonylpiperazine
CID 55374342
1-[(3,4-dimethoxyphenyl)methyl]-4-propylsulfonylpiperazine
CID 770674
[4-(1-benzyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 53078752
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-1,2,4,5-tetrahydro-3-benzazepine
CID 71997545
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
CID 122330917
2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-methoxy-5-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide
CID 126812587
1-[(4-chlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine
CID 17338184
1-[(3,4-dichlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonyl-1,4-diazepane
CID 6734614
1-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 53078931
1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
CID 1150416
1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(4-nitrophenyl)sulfonylpiperazine
CID 1150334
1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid
CID 43565512

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazine?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazine (CID 19615127) is 1-[(3,4-dimethoxyphenyl)methyl]-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazine.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)methyl]-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazine?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)methyl]-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazine is CCn1nc(C)c(S(=O)(=O)N2CCN(Cc3ccc(OC)c(OC)c3)CC2)c1C.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)methyl]-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazine?
The InChIKey is YUDUOYYWWKFZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O4S/c1-6-24-16(3)20(15(2)21-24)29(25,26)23-11-9-22(10-12-23)14-17-7-8-18(27-4)19(13-17)28-5/h7-8,13H,6,9-12,14H2,1-5H3.
What are the key properties of 1-[(3,4-dimethoxyphenyl)methyl]-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazine?
1-[(3,4-dimethoxyphenyl)methyl]-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazine has a molecular weight of 422.55 g/mol, XLogP of 2.04, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)methyl]-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazine is sourced from PubChem (CID 19615127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).